CAS 174139-69-6

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-1,1-dioxo-2,3-dihydrothieno[3,2-e]thiazin-4-one

2.1.2 InChI

InChI=1S/C6H4ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,8H,2H2

2.1.3 InChI Key

LZNHLQJIPKRFIH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(=O)C2=C(SC(=C2)Cl)S(=O)(=O)N1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 174139-69-6

2. 6-chloro-1,1-dioxo-2,3-dihydrothieno[3,2-e]thiazin-4-one

3. 6-chloro-2h-thieno[3,2-e][1,2]-thiazin-4(3h)-one 1,1-dioxide

4. 6-chloro-2,3-dihydro-4h-thieno[3,2-e][1,2]thiazin-4-one 1,1-dioxide

5. 6-chloro-2h-thieno[3,2-e][1,2]thiazin-4(3h)-one1,1-dioxide

6. Schembl9267866

7. Dtxsid90586287

8. Akos000282121

9. A851716

10. 6-chloro-2,3-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1,4-trione

2.3 Create Date

2007-07-31

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClNO₃S₂
Molecular Weight	237.7 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	99.9
Heavy Atom Count	13
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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